formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

C22H30N4O7 — CID 154914367

About formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide

formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (PubChem CID 154914367) has the molecular formula C22H30N4O7 and a molecular weight of 462.50 g/mol. Its IUPAC name is formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 154914367
• Molecular Formula: C22H30N4O7
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.21
• IUPAC Name: formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
• SMILES: Cc1cc(=O)n(CCN2CCC3(CCC(CNC(=O)c4ccco4)O3)CC2)c(=O)[nH]1.O=CO
• InChI: InChI=1S/C21H28N4O5.CH2O2/c1-15-13-18(26)25(20(28)23-15)11-10-24-8-6-21(7-9-24)5-4-16(30-21)14-22-19(27)17-3-2-12-29-17;2-1-3/h2-3,12-13,16H,4-11,14H2,1H3,(H,22,27)(H,23,28);1H,(H,2,3)
• InChIKey: INEUIXAEDZUKRP-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 146.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide (CID 154914367) is formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is Cc1cc(=O)n(CCN2CCC3(CCC(CNC(=O)c4ccco4)O3)CC2)c(=O)[nH]1.O=CO.

What is the InChIKey of formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

The InChIKey is INEUIXAEDZUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5.CH2O2/c1-15-13-18(26)25(20(28)23-15)11-10-24-8-6-21(7-9-24)5-4-16(30-21)14-22-19(27)17-3-2-12-29-17;2-1-3/h2-3,12-13,16H,4-11,14H2,1H3,(H,22,27)(H,23,28);1H,(H,2,3).

What are the key properties of formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide?

formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N-[[8-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 154914367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).